SCHEMBL1969710

SCHEMBL1969710

COc1ccc(CCN(C)C(=O)N(C)C)cc1OC.Cc1cccc(-c2sc(N)nc2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4D Q08499 1/20 0.38
CDK8 P49336 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1967102 0.89 NPC1 (0.54) NPC1HCRTR1HCRTR2POLBRAB9A
SCHEMBL1966243 0.83 HCRTR1 (0.45) NPC1HCRTR1HCRTR2RAB9AL3MBTL1
SCHEMBL1965918 0.82 HCRTR1 (0.47) NPC1HCRTR1HCRTR2POLBRAB9A
SCHEMBL1966981 0.82 HCRTR1 (0.48) NPC1HCRTR1HCRTR2POLBMAPT
SCHEMBL1968667 0.81 HCRTR1 (0.47) NPC1HCRTR1HCRTR2POLBMAPT
SCHEMBL1968983 0.81 HCRTR1 (0.47) NPC1HCRTR1HCRTR2POLBMAPT
SCHEMBL1969101 0.81 HCRTR1 (0.47) NPC1HCRTR1HCRTR2POLBMAPT
SCHEMBL1968796 0.81 HCRTR1 (0.47) NPC1HCRTR1HCRTR2POLBMAPT
SCHEMBL1968343 0.81 HCRTR1 (0.47) NPC1HCRTR1HCRTR2POLBMAPT
SCHEMBL1970656 0.80 NPC1 (0.42) NPC1HCRTR1HCRTR2RAB9AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 NPC1 1540/4885HCRTR1 2/4885HCRTR2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.